Pr6Zn2Ag
Alexandria ALEXAlex-ID: agm005802475 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Pr3Zn2Ag Pr
2023-07-10 16:07:08.421483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802475).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005802475
data_agm005802475
_cell_length_a 8.87451
_cell_length_b 8.87451
_cell_length_c 8.87451
_cell_angle_alpha 108.67056
_cell_angle_beta 111.70693
_cell_angle_gamma 108.06012
_cell_volume 537.40427
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr1 Pr 0.55724 0.73614 0.82110 1.00000
Pr2 Pr 0.44276 0.26386 0.17890 1.00000
Pr3 Pr 0.08496 0.26386 0.82110 1.00000
Pr4 Pr 0.91504 0.73614 0.17890 1.00000
Pr5 Pr 0.80261 0.74620 0.54881 1.00000
Pr6 Pr 0.19739 0.25380 0.45119 1.00000
Pr7 Pr 0.19739 0.74620 0.94360 1.00000
Pr8 Pr 0.80261 0.25380 0.05640 1.00000
Pr9 Pr 0.71600 0.39445 0.67845 1.00000
Pr10 Pr 0.28400 0.60555 0.32155 1.00000
Pr11 Pr 0.28400 0.96244 0.67845 1.00000
Pr12 Pr 0.71600 0.03756 0.32155 1.00000
Zn1 Zn 0.50000 0.37711 0.87711 1.00000
Zn2 Zn 0.50000 0.62289 0.12289 1.00000
Zn3 Zn 0.63555 1.00000 0.63555 1.00000
Zn4 Zn 0.36445 0.00000 0.36445 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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